(1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride

C5H12ClNO3 — CID 73424715

IUPAC(1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride
SMILESCl.N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H11NO3.ClH/c6-2-1-3(7)5(9)4(2)8;/h2-5,7-9H,1,6H2;1H/t2-,3+,4+,5-;/m1./s1
InChIKeyASBCITMWTLYRBD-FLGKMABCSA-N
MW169.61 g/mol
LogP-1.78
Rot. Bonds

About (1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride

(1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride (PubChem CID 73424715) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is (1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride.

Molecular Properties

Compound Name(1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride
PubChem CID73424715
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Name(1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride
SMILESCl.N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H11NO3.ClH/c6-2-1-3(7)5(9)4(2)8;/h2-5,7-9H,1,6H2;1H/t2-,3+,4+,5-;/m1./s1
InChIKeyASBCITMWTLYRBD-FLGKMABCSA-N
XLogP-1.78
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride?
The IUPAC name of (1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride (CID 73424715) is (1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride.
What is the SMILES notation for (1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride?
The canonical SMILES for (1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride is Cl.N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride?
The InChIKey is ASBCITMWTLYRBD-FLGKMABCSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c6-2-1-3(7)5(9)4(2)8;/h2-5,7-9H,1,6H2;1H/t2-,3+,4+,5-;/m1./s1.
What are the key properties of (1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride?
(1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -1.78, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride is sourced from PubChem (CID 73424715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).